2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

C15H17F2NOS — CID 103081163

IUPAC2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESFC(F)COCCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H17F2NOS/c16-15(17)10-19-7-6-18-9-14-8-13(11-20-14)12-4-2-1-3-5-12/h1-5,8,11,15,18H,6-7,9-10H2
InChIKeyGIHCTWLZKTXTAF-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.79
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 103081163) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID103081163
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
SMILESFC(F)COCCNCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C15H17F2NOS/c16-15(17)10-19-7-6-18-9-14-8-13(11-20-14)12-4-2-1-3-5-12/h1-5,8,11,15,18H,6-7,9-10H2
InChIKeyGIHCTWLZKTXTAF-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2,2-difluoroethoxy)ethylamino]methyl]thiophene-3-carbonitrile
CID 103081001
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62844842
N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081262
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
2-ethylsulfinyl-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 115632380
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N-[2-(2,2-difluoroethoxy)ethyl]aniline
CID 82010381
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine (CID 103081163) is 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is FC(F)COCCNCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GIHCTWLZKTXTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c16-15(17)10-19-7-6-18-9-14-8-13(11-20-14)12-4-2-1-3-5-12/h1-5,8,11,15,18H,6-7,9-10H2.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 297.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 103081163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).